3-[2-[3,5-bis(azanyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-5-ethoxy-benzenecarboximidamide

Systemtic Name: 3-[2-[3,5-bis(azanyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-5-ethoxy-benzenecarboximidamide Openeye Name: 3-[9-benzyl-2-(3,5-diaminophenoxy)-8-methyl-purin-6-yl]oxy-5-ethoxy-benzamidine CAS Name: 3-[[2-(3,5-diaminophenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-5-ethoxybenzenecarboximidamide IUPAC Name: 3-[9-benzyl-2-(3,5-diaminophenoxy)-8-methylpurin-6-yl]oxy-5-ethoxybenzenecarboximidamide Traditional Name: 3-[9-benzyl-2-(3,5-diaminophenoxy)-8-methyl-purin-6-yl]oxy-5-ethoxy-benzamidine Formula: C28H28N8O3 MolecularWeight: 524.57372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC(=CC(=C5)N)N)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC(=CC(=C5)N)N)C(=N)N

InChI

InChI=1S/C28H28N8O3/c1-3-37-21-9-18(25(31)32)10-22(14-21)38-27-24-26(36(16(2)33-24)15-17-7-5-4-6-8-17)34-28(35-27)39-23-12-19(29)11-20(30)13-23/h4-14H,3,15,29-30H2,1-2H3,(H3,31,32)